Python Molecule.parse_raw Exemples

Exemple #1

Fichier : test_molecule.py Projet : wilhadams/QCElemental

def test_molecule_serialization(encoding):
    blob = water_dimer_minima.serialize(encoding)
    assert water_dimer_minima == Molecule.parse_raw(blob, encoding=encoding)

Exemple #2

def test_molecule_serialization(water, encoding):
    blob = water.serialize(encoding)
    assert water.compare(Molecule.parse_raw(blob, encoding=encoding))